2-{[7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
2-{[7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | M143-0708 |
| Compound Name: | 2-{[7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 472.57 |
| Molecular Formula: | C25 H24 N6 O2 S |
| Smiles: | COc1ccc(cc1)c1ncc2c(ncnc2n1)SCC(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9183 |
| logD: | 3.9183 |
| logSw: | -3.8767 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.967 |
| InChI Key: | YPTDFBKCFBEUTQ-UHFFFAOYSA-N |